Information card for entry 7003463

Structure parameters

• Formula: C34 H29 Ga N5 O6
• Calculated formula: C34 H29 Ga N5 O6
• SMILES: [Ga]123([n]4c5c(O2)cccc5ccc4C)([n]2c4c(O3)cccc4ccc2C)[n]2c3c4[n]1cccc4ccc3ccc2.N(=O)(=O)[O-].C(C)O
• Title of publication: Synthesis and solid state characterization of hexacoordinated 1 : 1 ionic gallium(iii) complexes
• Authors of publication: Crispini, Alessandra; Ghedini, Mauro; De Franco, Irene; Aiello, Iolinda; La Deda, Massimo; Godbert, Nicolas; Bellusci, Anna
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 9
• Pages of publication: 1186 - 1194
• a: 11.8012 ± 0.0007 Å
• b: 19.8165 ± 0.0012 Å
• c: 13.4428 ± 0.0008 Å
• α: 90°
• β: 97.022 ± 0.003°
• γ: 90°
• Cell volume: 3120.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No